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1-Pyrazolidinecarbothioamide, N-(2-benzoyl-4-chlorophenyl)-
SpectraBase Compound ID F2woymlZqtD
InChI InChI=1S/C17H16ClN3OS/c18-13-7-8-15(20-17(23)21-10-4-9-19-21)14(11-13)16(22)12-5-2-1-3-6-12/h1-3,5-8,11,19H,4,9-10H2,(H,20,23)
InChIKey VLHYLPGYYZLSAH-UHFFFAOYSA-N
Mol Weight 345.85 g/mol
Molecular Formula C17H16ClN3OS
Exact Mass 345.070261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lHS5p0XsjO
Name 1-Pyrazolidinecarbothioamide, N-(2-benzoyl-4-chlorophenyl)-
CAS Registry Number 139192-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16ClN3OS
InChI InChI=1S/C17H16ClN3OS/c18-13-7-8-15(20-17(23)21-10-4-9-19-21)14(11-13)16(22)12-5-2-1-3-6-12/h1-3,5-8,11,19H,4,9-10H2,(H,20,23)
InChIKey VLHYLPGYYZLSAH-UHFFFAOYSA-N
Molecular Weight 345.848 g/mol
SMILES N1CCCN1C(Nc1c(cc(cc1)Cl)C(c1ccccc1)=O)=S
SPLASH splash10-0adi-8940000000-abee88c6dd7a7a1f57f7
Source of Spectrum Y-30-1642-5
Synonyms N-(2-benzoyl-4-chloro-phenyl)pyrazolidine-1-carbothioamide N-(2-Benzoyl-4-chlorophenyl)-1-pyrazolidinecarbothioamide N-[4-chloranyl-2-(phenylcarbonyl)phenyl]pyrazolidine-1-carbothioamide
Wiley ID 761288